0R9
5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid
Find entries where: 0R9
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid |
| Identifiers | 5-[2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid |
| Formula | C20 H15 F3 N6 O3 |
| Molecular Weight | 444.367 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F |
| InChI | InChI=1S/C20H15F3N6O3/c1-2-25-18(30)14-6-12-16(29-4-3-15(28-29)20(21,22)23)13(9-26-17(12)27-14)10-5-11(19(31)32)8-24-7-10/h3-9H,2H2,1H3,(H,25,30)(H,26,27)(H,31,32) |
| InChIKey | QEODWPGJXCSBCR-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 47 |
| Chiral Atom Count | 0 |
| Bond Count | 50 |
| Aromatic Bond Count | 21 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 57411983 |
| ChEMBL | CHEMBL2059196 |
